Compound Detail
CHEMBL1091598
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Basic Information
| ChEMBL ID | CHEMBL1091598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SARUJZSBTHIJFH-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.5
MW (Da)
4.99
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.66
IC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bombesin receptor subtype-3 CHEMBL1075140 | EC50 | 7.66 | 7.325 | 22.0 | 2 |
| Bombesin receptor subtype-3 CHEMBL4080 | EC50 | 7.01 | 6.69 | 98.0 | 2 |
| Bombesin receptor subtype-3 CHEMBL4080 | IC50 | 6.75 | 6.75 | 177.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bombesin receptor subtype-3 | EC50 | = | 22.0 | nM | 7.66 | Agonist activity at mouse BRS-3 expressed in HEK293 cells coexpressing AEQ over ... | 20219372 |
| Bombesin receptor subtype-3 | EC50 | = | 98.0 | nM | 7.01 | Agonist activity at human BRS-3 expressed in HEK293 cells coexpressing AEQ over ... | 20219372 |
| Bombesin receptor subtype-3 | EC50 | = | 103.0 | nM | 6.99 | Agonist activity at mouse BRS-3 expressed in HEK293 cells coexpressing AEQ over ... | 20219372 |
| Bombesin receptor subtype-3 | IC50 | = | 177.0 | nM | 6.75 | Displacement of [125I]D-Tyr6-betaAla11-Phe13-Nle14-bombesin from human BRS-3 exp... | 20219372 |
| Bombesin receptor subtype-3 | EC50 | = | 425.0 | nM | 6.37 | Agonist activity at human BRS-3 expressed in HEK293 cells coexpressing AEQ over ... | 20219372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20219372 | 10.1016/j.bmcl.2010.02.076 | Bombesin receptor subtype-3 | 5 |
| 20219372 | 10.1016/j.bmcl.2010.02.076 | Plasma | 1 |
| 20219372 | 10.1016/j.bmcl.2010.02.076 | Brain | 1 |
| 20219372 | 10.1016/j.bmcl.2010.02.076 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine